logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC05641662

 MMsINC code: MMs02482417
Type: Neutral
Formula: C15H22O2
SMILES:   OC1C2C(CC2(C)C)C(CC\C=C(\C)/C1=O)=C
InChI:   InChI=1/C15H22O2/c1-9-6-5-7-10(2)13(16)14(17)12-11(9)8-15(12,3)4/h7,11-12,14,17H,1,5-6,8H2,2-4H3/b10-7+/t11-,12-,14+/m1/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=84.2516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.339 g/mol  logS: -3.33005  SlogP: 2.875  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.363985  Sterimol/B1: 2.08647  Sterimol/B2: 3.67939  Sterimol/B3: 5.49199
  Sterimol/B4: 5.83221  Sterimol/L: 10.9174 
 
 Surface and Volume Properties
  Accessible surface: 431.923  Positive charged surface: 249.593  Negative charged surface: 139.368  Volume: 254.625
  Hydrophobic surface: 298.268  Hydrophilic surface: 133.655
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.